RMC: progress, problems and prospects

Abstract Materials that are disordered are far more common that those that have well-ordered crystalline structures, yet our understanding of them still remains at a very basic level. Since many technologically important materials are disordered it is vital that we improve our detailed knowledge of their atomic structures and how those structures are related to other physical properties. Reverse Monte Carlo (RMC) is a general method for creating structural models of disordered systems based on experimental data, predominantly from diffraction experiments. The development of RMC is described in the context of the scientific problems that have driven it. Some of the present problems are outlined and current and possible future developments are discussed.

[1]  The structure of liquid copper selenide , 1989 .

[2]  G. Tóth,et al.  On the uniqueness of the Reverse Monte Carlo simulation. I. Simple liquids, partial radial distribution functions , 1991 .

[3]  R. Mcgreevy,et al.  Structural disorder in AgBr on the approach to melting , 1990 .

[4]  R. Mcgreevy,et al.  The structure of molten LiCl , 1989 .

[5]  J. Sietsma,et al.  A reverse Monte Carlo study of amorphous Ni81B19 , 1993 .

[6]  R. Mcgreevy,et al.  The structure of molten K-Pb, Rb-Pb and Cs-Pb alloys , 1991 .

[7]  W. Howells,et al.  The structural properties of liquid and quenched sulphur II , 1994 .

[8]  R. Mcgreevy,et al.  Determination of disordered magnetic structures by RMC modelling of neutron diffraction data , 1991 .

[9]  R. Mcgreevy,et al.  The metal-nonmetal transition in expanded caesium , 1991 .

[10]  D. Muller,et al.  The structure of the C70 molecule , 1992, Nature.

[11]  B. Marcus,et al.  Relationship between emission spectroscopy and structural properties of diamond films synthesized by plasma-assisted chemical vapor deposition , 1991 .

[12]  G. Tóth,et al.  Comparative studies of the underlying local order corresponding to different radial distribution functions of disordered materials , 1992 .

[13]  R. Mcgreevy,et al.  Determination of Three Body Correlations in Simple Liquids by RMC Modelling of Diffraction Data. I. Theoretical Tests , 1991 .

[14]  The structure of liquid 4He across the λ-point , 1991 .

[15]  R. Mcgreevy,et al.  Reverse Monte Carlo simulation for the analysis of EXAFS data , 1990 .

[16]  K. Clausen,et al.  Structural disorder in AgBr: Reverse Monte Carlo analysis of powder neutron-diffraction data , 1990 .

[17]  R. L. McGreevy,et al.  Reverse Monte Carlo Simulation: A New Technique for the Determination of Disordered Structures , 1988 .

[18]  M. A. Howe.  Orientational correlations in the liquid halogens , 1990 .

[19]  R. Mcgreevy,et al.  Structural changes in silver bromide at the melting point , 1992 .

[20]  B. L. Averbach,et al.  Monte Carlo models of atomic arrangements in arsenic-selenium glasses , 1974 .

[21]  L. Pusztai,et al.  Modelling the structure of Ni65B35 metallic glass by reverse Monte Carlo simulation , 1993 .

[22]  Michael T. Hutchings,et al.  Investigation of thermally induced anion disorder in fluorites using neutron scattering techniques , 1984 .

[23]  L. David Pye,et al.  The Physics of non-crystalline solids , 1992 .

[24]  R. Mcgreevy,et al.  Structural modelling of glasses using reverse Monte Carlo simulation , 1990, Nature.

[25]  A. Soper.  Recent developments in the physics of fluids , 1992 .